MolNFT v1 · #90775 · protein

Crystal structure of E6H variant of de novo designed serine hydrolase OSH55, northeast structural genomics consortium (nesg) target OR185

4ETJ: “Crystal structure of E6H variant of de novo designed serine hydrolase OSH55, northeast structural genomics…”. X-ray diffraction, 2 ligands (PE6, CL), 1 pocket (best druggability 0.59). MolNFT v1 #90775 on GenesisL1: 3D structure…

PDB: 4ETJ
Type: protein
Length: 164 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serine hydrolase
Ligands: PE6, CL
Pockets: 1 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Serine hydrolase	protein	164	38% helix, 22% strand	—

Ligands and binding sites

PE6 · Phosphoryl-hexaethylene glycol · ligand · chains A
CL · Chloride ion · ion · chains A
PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol · additive · chains A
PE5 · 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	209	0.59	0.80	40	PE5, PE6

Compared structures

4ETJ · Crystal Structure of E6H variant of de novo designed serine hydrolase OSH55, Northeast… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 4ETJ · PDBe 4ETJ

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